1H-Cycloprop[f]azulene-5,6-diol, 1,1-dichlorodecahydro-2a,7a-dimethyl-5-(1-methylethyl)-, (1aR,2aR,5R,5aS,6S,7aS)-
| Internal ID | 2c6170f7-8deb-4bda-aaec-dd76e7a924c1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 1,1-dichloro-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-cyclopropa[f]azulene-5,6-diol |
| SMILES (Canonical) | CC(C)C1(CCC2(C1C(CC3(C(C2)C3(Cl)Cl)C)O)C)O |
| SMILES (Isomeric) | CC(C)C1(CCC2(C1C(CC3(C(C2)C3(Cl)Cl)C)O)C)O |
| InChI | InChI=1S/C16H26Cl2O2/c1-9(2)15(20)6-5-13(3)8-11-14(4,16(11,17)18)7-10(19)12(13)15/h9-12,19-20H,5-8H2,1-4H3 |
| InChI Key | XRLMBEOCVFOJBP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H26Cl2O2 |
| Molecular Weight | 321.30 g/mol |
| Exact Mass | 320.1309855 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.90 |
| 149301-85-9 |
| 1H-Cycloprop[f]azulene-5,6-diol, 1,1-dichlorodecahydro-2a,7a-dimethyl-5-(1-methylethyl)-, (1aR,2aR,5R,5aS,6S,7aS)- |
![2D Structure of 1H-Cycloprop[f]azulene-5,6-diol, 1,1-dichlorodecahydro-2a,7a-dimethyl-5-(1-methylethyl)-, (1aR,2aR,5R,5aS,6S,7aS)-](https://plantaedb.com/storage/docs/compounds/2023/11/0d75afc0-8436-11ee-9df8-cbbde106a6a2.jpg "2D Structure of 1H-Cycloprop[f]azulene-5,6-diol, 1,1-dichlorodecahydro-2a,7a-dimethyl-5-(1-methylethyl)-, (1aR,2aR,5R,5aS,6S,7aS)-")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.28% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.91% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.81% | 96.61% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.77% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.33% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 89.33% | 82.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.99% | 94.75% |
| CHEMBL2007625 | O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | 87.95% | 99.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.79% | 91.11% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.86% | 85.30% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 85.81% | 92.86% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.95% | 95.93% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 81.79% | 97.64% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 81.56% | 95.69% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.42% | 97.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.08% | 95.38% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Ferula jaeschkeana |
| PubChem | 163085315 |
| LOTUS | LTS0212008 |
| wikiData | Q105340556 |